Details of the Drug

General Information of Drug (ID: DMJRD7A)

Drug Name

GSK3326595

Synonyms

JLCCNYVTIWRPIZ-NRFANRHFSA-N; 1616392-22-3; 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide; SCHEMBL15825290; MolPort-044-813-754; BDBM178166; AKOS030528008; ZINC220119494; CS-6451; AS-53150; HY-101563; GSK3326595(EPZ015938); US9675614, 208; (S)-6-((1-acetylpiperidin-4-yl)amino)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)pyrimidine-4-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 2	[1]
Non-hodgkin lymphoma	2B33.5	Phase 1	[2]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

452.5

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C24H32N6O3
IUPAC Name: 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
Canonical SMILES: CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O
InChI: InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
InChIKey: JLCCNYVTIWRPIZ-NRFANRHFSA-N

Cross-matching ID

PubChem CID: 90241742
CAS Number: 1616392-22-3
TTD ID: D0CR7L

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein arginine methyltransferase 5 (PRMT5)	TTR1D7X	ANM5_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT04676516) A Phase II Window of Opportunity Trial of PRMT5 Inhibitor, GSK3326595, in Early Stage Breast Cancer (OTT-19-06). U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)